(3beta,6alpha,12beta,20R,22E)-3,12,20,25-Tetrahydroxydammar-22-en-6-yl beta-D-glucopyranoside
| Internal ID | 1f908bdb-5bbc-48dc-9b97-8c5c7d9f4717 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 2-[[17-(2,6-dihydroxy-6-methylhept-3-en-2-yl)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C(C)(C=CCC(C)(C)O)O)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C |
| SMILES (Isomeric) | CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C(C)(C=CCC(C)(C)O)O)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C |
| InChI | InChI=1S/C36H62O10/c1-31(2,43)12-9-13-36(8,44)19-10-15-34(6)25(19)20(38)16-23-33(5)14-11-24(39)32(3,4)29(33)21(17-35(23,34)7)45-30-28(42)27(41)26(40)22(18-37)46-30/h9,13,19-30,37-44H,10-12,14-18H2,1-8H3 |
| InChI Key | GWXVKQQKVGTQHX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H62O10 |
| Molecular Weight | 654.90 g/mol |
| Exact Mass | 654.43429817 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | 2.60 |
| (3beta,6alpha,12beta,20R,22E)-3,12,20,25-Tetrahydroxydammar-22-en-6-yl beta-D-glucopyranoside |
| 175889-50-6 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.45% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.44% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.45% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.03% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.13% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.48% | 96.61% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 89.66% | 99.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.69% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.07% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.91% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.66% | 100.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 85.07% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.97% | 90.24% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.42% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.34% | 94.45% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.56% | 97.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.08% | 96.21% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.21% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.57% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Iryanthera grandis |
| Panax notoginseng |
| PubChem | 162995599 |
| LOTUS | LTS0093001 |
| wikiData | Q105271091 |